8-chloro-5-[(3-chlorophenyl)methyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole

C19H18Cl2N2 — CID 90680891

IUPAC8-chloro-5-[(3-chlorophenyl)methyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCN1CCc2c(c3cc(Cl)ccc3n2Cc2cccc(Cl)c2)C1
InChIInChI=1S/C19H18Cl2N2/c1-22-8-7-19-17(12-22)16-10-15(21)5-6-18(16)23(19)11-13-3-2-4-14(20)9-13/h2-6,9-10H,7-8,11-12H2,1H3
InChIKeyGBNZSRSQBJNGOS-UHFFFAOYSA-N
MW345.27 g/mol
LogP4.98
Rot. Bonds2

About 8-chloro-5-[(3-chlorophenyl)methyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole

8-chloro-5-[(3-chlorophenyl)methyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole (PubChem CID 90680891) has the molecular formula C19H18Cl2N2 and a molecular weight of 345.27 g/mol. Its IUPAC name is 8-chloro-5-[(3-chlorophenyl)methyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name8-chloro-5-[(3-chlorophenyl)methyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole
PubChem CID90680891
Molecular FormulaC19H18Cl2N2
Molecular Weight345.27 g/mol
Exact Mass344.08
IUPAC Name8-chloro-5-[(3-chlorophenyl)methyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCN1CCc2c(c3cc(Cl)ccc3n2Cc2cccc(Cl)c2)C1
InChIInChI=1S/C19H18Cl2N2/c1-22-8-7-19-17(12-22)16-10-15(21)5-6-18(16)23(19)11-13-3-2-4-14(20)9-13/h2-6,9-10H,7-8,11-12H2,1H3
InChIKeyGBNZSRSQBJNGOS-UHFFFAOYSA-N
XLogP4.98
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.27
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-5-[(3-chlorophenyl)methyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
The IUPAC name of 8-chloro-5-[(3-chlorophenyl)methyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole (CID 90680891) is 8-chloro-5-[(3-chlorophenyl)methyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole.
What is the SMILES notation for 8-chloro-5-[(3-chlorophenyl)methyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
The canonical SMILES for 8-chloro-5-[(3-chlorophenyl)methyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole is CN1CCc2c(c3cc(Cl)ccc3n2Cc2cccc(Cl)c2)C1.
What is the InChIKey of 8-chloro-5-[(3-chlorophenyl)methyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
The InChIKey is GBNZSRSQBJNGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N2/c1-22-8-7-19-17(12-22)16-10-15(21)5-6-18(16)23(19)11-13-3-2-4-14(20)9-13/h2-6,9-10H,7-8,11-12H2,1H3.
What are the key properties of 8-chloro-5-[(3-chlorophenyl)methyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
8-chloro-5-[(3-chlorophenyl)methyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole has a molecular weight of 345.27 g/mol, XLogP of 4.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-5-[(3-chlorophenyl)methyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 90680891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).